6-[5-(dihydroxyamino)-1H-pyrrol-3-yl]-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4-methylhex-4-en-1-ol

C19H32N2O5 — CID 163141187

IUPAC6-[5-(dihydroxyamino)-1H-pyrrol-3-yl]-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4-methylhex-4-en-1-ol
SMILESCC(=CCc1c[nH]c(N(O)O)c1)CCC(O)C1(C)CCC(C(C)(C)O)O1
InChIInChI=1S/C19H32N2O5/c1-13(5-7-14-11-17(20-12-14)21(24)25)6-8-15(22)19(4)10-9-16(26-19)18(2,3)23/h5,11-12,15-16,20,22-25H,6-10H2,1-4H3
InChIKeyJVHYIWDYQYMKGI-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.94
Rot. Bonds8

About 6-[5-(dihydroxyamino)-1H-pyrrol-3-yl]-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4-methylhex-4-en-1-ol

6-[5-(dihydroxyamino)-1H-pyrrol-3-yl]-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4-methylhex-4-en-1-ol (PubChem CID 163141187) has the molecular formula C19H32N2O5 and a molecular weight of 368.47 g/mol. Its IUPAC name is 6-[5-(dihydroxyamino)-1H-pyrrol-3-yl]-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4-methylhex-4-en-1-ol.

Molecular Properties

Compound Name6-[5-(dihydroxyamino)-1H-pyrrol-3-yl]-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4-methylhex-4-en-1-ol
PubChem CID163141187
Molecular FormulaC19H32N2O5
Molecular Weight368.47 g/mol
Exact Mass368.23
IUPAC Name6-[5-(dihydroxyamino)-1H-pyrrol-3-yl]-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4-methylhex-4-en-1-ol
SMILESCC(=CCc1c[nH]c(N(O)O)c1)CCC(O)C1(C)CCC(C(C)(C)O)O1
InChIInChI=1S/C19H32N2O5/c1-13(5-7-14-11-17(20-12-14)21(24)25)6-8-15(22)19(4)10-9-16(26-19)18(2,3)23/h5,11-12,15-16,20,22-25H,6-10H2,1-4H3
InChIKeyJVHYIWDYQYMKGI-UHFFFAOYSA-N
XLogP2.94
TPSA109.18 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(dihydroxyamino)-1H-pyrrol-3-yl]-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4-methylhex-4-en-1-ol?
The IUPAC name of 6-[5-(dihydroxyamino)-1H-pyrrol-3-yl]-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4-methylhex-4-en-1-ol (CID 163141187) is 6-[5-(dihydroxyamino)-1H-pyrrol-3-yl]-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4-methylhex-4-en-1-ol.
What is the SMILES notation for 6-[5-(dihydroxyamino)-1H-pyrrol-3-yl]-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4-methylhex-4-en-1-ol?
The canonical SMILES for 6-[5-(dihydroxyamino)-1H-pyrrol-3-yl]-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4-methylhex-4-en-1-ol is CC(=CCc1c[nH]c(N(O)O)c1)CCC(O)C1(C)CCC(C(C)(C)O)O1.
What is the InChIKey of 6-[5-(dihydroxyamino)-1H-pyrrol-3-yl]-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4-methylhex-4-en-1-ol?
The InChIKey is JVHYIWDYQYMKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O5/c1-13(5-7-14-11-17(20-12-14)21(24)25)6-8-15(22)19(4)10-9-16(26-19)18(2,3)23/h5,11-12,15-16,20,22-25H,6-10H2,1-4H3.
What are the key properties of 6-[5-(dihydroxyamino)-1H-pyrrol-3-yl]-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4-methylhex-4-en-1-ol?
6-[5-(dihydroxyamino)-1H-pyrrol-3-yl]-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4-methylhex-4-en-1-ol has a molecular weight of 368.47 g/mol, XLogP of 2.94, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(dihydroxyamino)-1H-pyrrol-3-yl]-1-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4-methylhex-4-en-1-ol is sourced from PubChem (CID 163141187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).